1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen

C16H24F2 — CID 158570343

IUPAC1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
SMILESC.C=CC1CCC(c2ccc(C)c(F)c2F)CC1.[H][H]
InChIInChI=1S/C15H18F2.CH4.H2/c1-3-11-5-7-12(8-6-11)13-9-4-10(2)14(16)15(13)17;;/h3-4,9,11-12H,1,5-8H2,2H3;1H4;1H
InChIKeyHRZPOGKLBFYDRZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.62
Rot. Bonds2

About 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen (PubChem CID 158570343) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
PubChem CID158570343
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen
SMILESC.C=CC1CCC(c2ccc(C)c(F)c2F)CC1.[H][H]
InChIInChI=1S/C15H18F2.CH4.H2/c1-3-11-5-7-12(8-6-11)13-9-4-10(2)14(16)15(13)17;;/h3-4,9,11-12H,1,5-8H2,2H3;1H4;1H
InChIKeyHRZPOGKLBFYDRZ-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867990
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 67730332
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-hexan-2-ylbenzene
CID 91310918
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161378
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 161483988
2,3-difluoro-1-[4-[2-(2-fluorophenyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 76658190
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
2-[4-[4-[4-(4-ethenylcyclohexyl)-2,3-difluorophenyl]cyclohexyl]-2-fluorophenyl]oxirane
CID 88953262

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen (CID 158570343) is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen is C.C=CC1CCC(c2ccc(C)c(F)c2F)CC1.[H][H].
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen?
The InChIKey is HRZPOGKLBFYDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2.CH4.H2/c1-3-11-5-7-12(8-6-11)13-9-4-10(2)14(16)15(13)17;;/h3-4,9,11-12H,1,5-8H2,2H3;1H4;1H.
What are the key properties of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen?
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen has a molecular weight of 254.36 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-methylbenzene;methane;molecular hydrogen is sourced from PubChem (CID 158570343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).